3,3-difluoro-8-azaspiro[4.5]decane

C9H15F2N — CID 115014468

IUPAC3,3-difluoro-8-azaspiro[4.5]decane
SMILESFC1(F)CCC2(CCNCC2)C1
InChIInChI=1S/C9H15F2N/c10-9(11)2-1-8(7-9)3-5-12-6-4-8/h12H,1-7H2
InChIKeyHLCNBSYWXRTARZ-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.18
Rot. Bonds

About 3,3-difluoro-8-azaspiro[4.5]decane

3,3-difluoro-8-azaspiro[4.5]decane (PubChem CID 115014468) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 3,3-difluoro-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3,3-difluoro-8-azaspiro[4.5]decane
PubChem CID115014468
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name3,3-difluoro-8-azaspiro[4.5]decane
SMILESFC1(F)CCC2(CCNCC2)C1
InChIInChI=1S/C9H15F2N/c10-9(11)2-1-8(7-9)3-5-12-6-4-8/h12H,1-7H2
InChIKeyHLCNBSYWXRTARZ-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-Azaspiro[4.5]decane
CID 14448981
8-Azaspiro(4.5)decane hydrochloride
CID 22401229
2,2-Difluoro-7-azaspiro[3.5]nonane hydrochloride
CID 71302386
4-(3,3,3-Trifluoropropyl)piperidine
CID 83914999
2,2-Difluoro-8-azaspiro(4.5)decane hydrochloride
CID 138987742
8-Azaspiro(4.5)decane
CID 437152
9,9-Difluoro-6-azaspiro[3.5]nonane hydrochloride
CID 49759247
6,6-Difluoro-2-azaspiro[4.4]nonane hydrochloride
CID 105451191
7,7-Difluoro-2-azaspiro[4.4]nonane hydrochloride
CID 105451192
9-(Trifluoromethyl)-6-azaspiro[3.5]nonane
CID 112756500
3,3-Dimethyl-2-(trifluoromethyl)piperidine hydrochloride
CID 137935777
8,8-Difluoro-6-azaspiro(3.5)nonane hydrochloride
CID 137942466

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-8-azaspiro[4.5]decane?
The IUPAC name of 3,3-difluoro-8-azaspiro[4.5]decane (CID 115014468) is 3,3-difluoro-8-azaspiro[4.5]decane.
What is the SMILES notation for 3,3-difluoro-8-azaspiro[4.5]decane?
The canonical SMILES for 3,3-difluoro-8-azaspiro[4.5]decane is FC1(F)CCC2(CCNCC2)C1.
What is the InChIKey of 3,3-difluoro-8-azaspiro[4.5]decane?
The InChIKey is HLCNBSYWXRTARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c10-9(11)2-1-8(7-9)3-5-12-6-4-8/h12H,1-7H2.
What are the key properties of 3,3-difluoro-8-azaspiro[4.5]decane?
3,3-difluoro-8-azaspiro[4.5]decane has a molecular weight of 175.22 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-8-azaspiro[4.5]decane is sourced from PubChem (CID 115014468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).